SCHEMBL14023965

SCHEMBL14023965

CCS(=O)(=O)N1CCN(c2ccc3cc2COC/C=C/CCOc2cc(ccn2)-c2nc(ncc2Cl)N3)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.57
FLT3 P36888 14/20 0.57
TYK2 P29597 13/20 0.57
JAK1 P23458 12/20 0.55
CDK2 P24941 7/20 0.55
JAK3 P52333 6/20 0.55
CYP3A4 P08684 1/20 0.55
KCNH2 Q12809 1/20 0.48
CCNA2 P20248 5/20 0.43
CCNA1 P78396 5/20 0.43
EGFR P00533 6/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14023948 0.92 JAK2 (0.57) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14023552 0.91 JAK2 (0.59) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022823 0.88 JAK2 (0.60) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14023565 0.86 JAK2 (0.52) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022847 0.83 JAK2 (0.70) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022828 0.83 JAK2 (0.61) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022833 0.82 JAK2 (0.59) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14022824 0.81 JAK2 (0.71) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14023902 0.81 JAK2 (0.63) JAK2FLT3TYK2JAK1CDK2
SCHEMBL14023939 0.80 JAK2 (0.61) JAK2FLT3TYK2JAK1CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed